#![feature(test)] extern crate test; use cheminee::search::compound_processing::process_cpd; use cheminee::search::scaffold_search::{scaffold_search, PARSED_SCAFFOLDS}; use test::Bencher; #[bench] fn bench_scaffold_search(b: &mut Bencher) { let smiles = "C[S+](CC[C@@H](C(=O)[O-])[NH3+])C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O"; let (mol, fp, _descriptors) = process_cpd(smiles, false).unwrap(); b.iter(|| scaffold_search(&fp.0, &mol, &PARSED_SCAFFOLDS)); }